dichloromethane;hexane;tetrachloromethane

C8H16Cl6 — CID 88500059

IUPACdichloromethane;hexane;tetrachloromethane
SMILESCCCCCC.ClC(Cl)(Cl)Cl.ClCCl
InChIInChI=1S/C6H14.CCl4.CH2Cl2/c1-3-5-6-4-2;2-1(3,4)5;2-1-3/h3-6H2,1-2H3;;1H2
InChIKeyYIOVYSYSJICQGH-UHFFFAOYSA-N
MW324.93 g/mol
LogP6.56
Rot. Bonds3

About dichloromethane;hexane;tetrachloromethane

dichloromethane;hexane;tetrachloromethane (PubChem CID 88500059) has the molecular formula C8H16Cl6 and a molecular weight of 324.93 g/mol. Its IUPAC name is dichloromethane;hexane;tetrachloromethane.

Molecular Properties

Compound Namedichloromethane;hexane;tetrachloromethane
PubChem CID88500059
Molecular FormulaC8H16Cl6
Molecular Weight324.93 g/mol
Exact Mass321.94
IUPAC Namedichloromethane;hexane;tetrachloromethane
SMILESCCCCCC.ClC(Cl)(Cl)Cl.ClCCl
InChIInChI=1S/C6H14.CCl4.CH2Cl2/c1-3-5-6-4-2;2-1(3,4)5;2-1-3/h3-6H2,1-2H3;;1H2
InChIKeyYIOVYSYSJICQGH-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.93
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

dichloromethane;heptane;hydrate
CID 19689114
butane;tetrachloromethane
CID 175704167
beryllium;hexane;hydride
CID 173045264
chloroethane;pentane
CID 161358526
hexane;hypochlorous acid
CID 88775298
11-chloro-11-nonylhenicosane
CID 154304707
11-chloro-11-decylpentacosane
CID 19690403
1-chloroicosane;dichlorophosphane
CID 173449796
dichloromethane;tetrabutylazanium;bromide
CID 159516193
7-chloro-7-hexylheptadecane
CID 141000501
1,1,1-trichlorononane
CID 6420387
dichloromethane;octan-1-ol
CID 23435244

Frequently Asked Questions

What is the IUPAC name of dichloromethane;hexane;tetrachloromethane?
The IUPAC name of dichloromethane;hexane;tetrachloromethane (CID 88500059) is dichloromethane;hexane;tetrachloromethane.
What is the SMILES notation for dichloromethane;hexane;tetrachloromethane?
The canonical SMILES for dichloromethane;hexane;tetrachloromethane is CCCCCC.ClC(Cl)(Cl)Cl.ClCCl.
What is the InChIKey of dichloromethane;hexane;tetrachloromethane?
The InChIKey is YIOVYSYSJICQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.CCl4.CH2Cl2/c1-3-5-6-4-2;2-1(3,4)5;2-1-3/h3-6H2,1-2H3;;1H2.
What are the key properties of dichloromethane;hexane;tetrachloromethane?
dichloromethane;hexane;tetrachloromethane has a molecular weight of 324.93 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;hexane;tetrachloromethane is sourced from PubChem (CID 88500059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).